Tertatolol

Tertatolol

SCHEMBL1649964

CC(C)(C)NCC(O)COc1cccc2c1SCCC2.[Cl-].[H+]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Tertatolol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 2/20 0.96
CHRM1 known ✓ P11229 1/20 0.51
HTR1A P08908 5/20 0.96
SLC6A4 P31645 3/20 0.96
ADRA2A P08913 3/20 0.96
ADRB2 P07550 9/20 0.54
ADRB1 P08588 6/20 0.54
TSHR P16473 2/20 0.54
ADRA1A P35348 2/20 0.54
LMNA P02545 2/20 0.54
RECQL P46063 1/20 0.54
ADRB3 P13945 2/20 0.53
SIGMAR1 Q99720 1/20 0.53
CYP2D6 P10635 3/20 0.51
CYP1A2 P05177 2/20 0.51
USP2 O75604 1/20 0.51
CYP2C9 P11712 1/20 0.51
DRD1 P21728 1/20 0.51
TBXA2R P21731 1/20 0.51
PTGS1 P23219 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Tertatolol SCHEMBL49634 0.98 HTR1A (1.00) HTR1ASLC6A4ADRA2ASLC6A2ADRB2
Tertatolol SCHEMBL49635 0.98 HTR1A (1.00) HTR1ASLC6A4ADRA2ASLC6A2ADRB2
Tertatolol SCHEMBL6513139 0.98 HTR1A (1.00) HTR1ASLC6A4ADRA2ASLC6A2ADRB2
Tertatolol SCHEMBL23234262 0.97 HTR1A (0.98) HTR1ASLC6A4ADRA2ASLC6A2ADRB2
Tertatolol SCHEMBL388069 0.97 HTR1A (0.98) HTR1ASLC6A4ADRA2ASLC6A2ADRB2
Tertatolol SCHEMBL365413 0.97 HTR1A (0.98) HTR1ASLC6A4ADRA2ASLC6A2ADRB2
SCHEMBL9123669 0.83 HTR1A (0.74) HTR1ASLC6A4ADRA2ASLC6A2ADRB2
Tertatolol SCHEMBL9136272 0.83 HTR1A (0.72) HTR1ASLC6A4ADRA2ASLC6A2ADRB2
SCHEMBL9507435 0.80 SLC6A2 (0.70) HTR1ASLC6A4ADRA2ASLC6A2ADRB2
SCHEMBL11233727 0.79 ADRB2 (0.68) HTR1ASLC6A4ADRA2ASLC6A2ADRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
EP-1303306-B1 EPOXY-STEROIDAL ALDOSTERONE ANTAGONIST AND BETA-ADRENERGIC ANTAGONIST COMBINATION THERAPY FOR TREATMENT OF CONGESTIVE HEART FAILURE PHARMACIA CORP (US) 2006-06-21 EP disclosed
US-20050215537-A1 Epoxy-steroidal aldosterone antagonist and beta-adrenergic antagonist combination therapy for treatment of congestive heart failure PHARMACIA CORPORATION 2005-09-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050215537-A1 Epoxy-steroidal aldosterone antagonist and beta-adrenergic antagonist combination therapy for treatment of congestive heart failure ADRB1, ADRB2, ADRB3 SLC6A2 637/4885CHRM1 580/4885HTR1A 1000/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.